SCHEMBL4400959

SCHEMBL4400959

Cc1cc(S(=O)(=O)c2ccccc2)c(C)cc1S(=O)(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.56
ALDH1A1 P00352 4/20 0.53
POLB P06746 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 2/20 0.50
GAA P10253 2/20 0.50
GFER P55789 1/20 0.50
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ABCC9 O60706 1/20 0.47
ABCC8 Q09428 1/20 0.47
KCNJ11 Q14654 1/20 0.47
KCNJ8 Q15842 1/20 0.47
KIF18A Q8NI77 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
RAPGEF4 Q8WZA2 1/20 0.45
KDM4E B2RXH2 2/20 0.45
PKM P14618 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10788994 0.86 POLB (0.56) HTR6ALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL4616550 0.85 ALDH1A1 (0.47) HTR6ALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL930983 0.85 POLB (0.59) HTR6ALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL4403011 0.84 ALDH1A1 (0.49) HTR6ALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL1539116 0.84 HTR6 (0.48) HTR6ALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL30963734 0.84 ALDH1A1 (0.51) HTR6ALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL2487383 0.84 ALDH1A1 (0.54) HTR6ALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL30513963 0.84 ALDH1A1 (0.54) HTR6ALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL11599302 0.84 ALDH1A1 (0.66) HTR6ALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL757794 0.84 ALDH1A1 (0.51) HTR6ALDH1A1POLBSMN1; SMN2MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675930-B1 NEW MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2018-05-30 EP disclosed
US-8173276-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2012-05-08 US disclosed
US-20100102305-A1 MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2010-04-29 US disclosed
US-7659540-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2010-02-09 US disclosed
US-20070080343-A1 New materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2007-04-12 US disclosed